BDBM50142645 8-[3-Hydroxy-3-methyl-4-(4-pyrimidin-2-yl-piperazin-1-yl)-butyl]-8-aza-spiro[4.5]decane-7,9-dione::CHEMBL49950

SMILES: CC(O)(CCN1C(=O)CC2(CCCC2)CC1=O)CN1CCN(CC1)c1ncccn1

InChI Key: InChIKey=ABCBKLYRLDCXBW-UHFFFAOYSA-N

Data: 1 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50142645   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50142645 (8-[3-Hydroxy-3-methyl-4-(4-pyrimidin-2-yl-piperazi...) Show SMILES CC(O)(CCN1C(=O)CC2(CCCC2)CC1=O)CN1CCN(CC1)c1ncccn1 Show InChI InChI=1S/C22H33N5O3/c1-21(30,17-25-11-13-26(14-12-25)20-23-8-4-9-24-20)7-10-27-18(28)15-22(16-19(27)29)5-2-3-6-22/h4,8-9,30H,2-3,5-7,10-17H2,1H3	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.46E+3	n/a	n/a	n/a	n/a	n/a	n/a
ArQule Inc Curated by ChEMBL					Assay Description In vitro binding affinity of the compound against 5-hydroxytryptamine 1A receptor using [3H]-8-OH-DPAT in human CYP3A4 assay				Bioorg Med Chem Lett 14: 1709-12 (2004) Article DOI: 10.1016/j.bmcl.2004.01.045 BindingDB Entry DOI: 10.7270/Q2ZW1KB5
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